2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide

C12H19ClN4O — CID 62185813

IUPAC2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)15-12(18)9-6-10(13)16-11(14)7-9/h6-8H,4-5H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyVIWWERJOIWUTSY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide

2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide (PubChem CID 62185813) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
PubChem CID62185813
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)15-12(18)9-6-10(13)16-11(14)7-9/h6-8H,4-5H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyVIWWERJOIWUTSY-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
CID 62160387
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
(4S)-1-(2-amino-6-chloro-4-pyridinyl)-4-(diethylamino)pentan-1-one
CID 157430349

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide (CID 62185813) is 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide is CC(CCN(C)C)NC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is VIWWERJOIWUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)15-12(18)9-6-10(13)16-11(14)7-9/h6-8H,4-5H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 62185813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).